| ²é¿´: 2735 | »Ø¸´: 10 | |||
hedaors½û³æ (ÕýʽдÊÖ)
ÒþÇåÌÃÖ÷
|
[½»Á÷]
Çë²»ÒªÔÙ¸úÎÒÒª readband.py ÁË£¡ ÒÑÓÐ9È˲ÎÓë
|
|
ÎÒÔø¾ÔÚ 2009 Äêд¹ýһƪ phonopy µÄ¼òµ¥½éÉÜ£¬ÄǸöʱºò phonopy Ëã³öµÄÉù×ӯף¬»¹²»ÄÜ·½±ãµÄÌáÈ¡Êý¾Ý£¬ÓÃÀ´ÔÚ origin µÈÈí¼þÖлͼ¡£ ËùÒÔÎÒ¾ÍдÁËÒ»¸ö¼òµ¥µÄ¹¤¾ß£¬readband.py , ÓÃÀ´ÌáÈ¡Éù×ÓÆ×Êý¾Ý¡£ ÏÖÔÚ¶¼¹ýÈ¥ 4 ÄêÁË£¬phonopy ÒѾÓÐÁ˾޴óµÄ¸Ä½ø£¬ÎÒдµÄÄǸö phonopy ¼òµ¥½éÉÜÔç¾Í¹ýʱÁË¡£readband.py Ò²Ôç¾Í²»ÊÊÓÃÁË£¬Ò²Ã»ÓбØÒª´æÔÚÁË¡£ ¶øÏÖÔÚ¼¸ºõÿÌì¶¼ÓÐÈ˸øÎÒдÐÅÒª readband.py Õâ¸ö¹¤¾ß¡£ ÎҾͺÜÄÉÃÆ£¬ÄѵÀ´ó¼Ò¶¼²»¿´ phonopy µÄÎĵµÃ´£¿ http://phonopy.sourceforge.net/auxiliary-tools.html bandplot Band structure is plotted reading phonopy output in band.yaml format. -o option with a file name is used to save the plot into a file in PDF format. A few more options are prepared and shown by -h option. If you specify more than two yaml files, they are plotted together. bandplot band.yaml To obtain a simple text format data: bandplot --gnuplot band.yaml Èç¹ûÄãÏë°ÑÊý¾Ý·ÅÔÚ origin µÈÈí¼þÀïÃæ»Í¼£¬Ö±½ÓÖ´ÐÐ bandplot --gnuplot band.yaml > band.dat ¾Í¿ÉÒÔÁË¡£ Ìáʾ£ºÆäÖÐ band.dat µÄµÚÒ»ÐÐÊÇ q µãµÄλÖᣠ|
» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©
» ²ÂÄãϲ»¶
Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
265Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
085700×ÊÔ´Óë»·¾³308Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏѧ˶321Çóµ÷¼Á
ÒѾÓÐ12È˻ظ´
286·ÖÈ˹¤ÖÇÄÜרҵÇëÇóµ÷¼ÁÔ¸Òâ¿ç¿¼£¡
ÒѾÓÐ3È˻ظ´
329Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
ÉêÇë»Ø¸åÑÓÆÚÒ»¸öÔ£¬±à¼Í¬ÒâÁË¡£µ«ÏµÍ³ÉϵÄʱ¼äû±ä£¬¸ø±à¼ÓÖдÓʼþÁË£¬Ã»»Ø¸´
ÒѾÓÐ4È˻ظ´
²ÄÁÏѧ˶318Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
Ò»Ö¾Ô¸Öйúº£Ñó´óѧ£¬ÉúÎïѧ£¬301·Ö£¬Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
081700»¯¹¤Ñ§Ë¶µ÷¼Á
ÒѾÓÐ3È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
Ó¢Óï¹ÊÊ£ºÇë²»ÒªÍü¼ÇÄÇ¿´²»¼ûµÄ΢Ц
ÒѾÓÐ1È˻ظ´
¡¾¶Áд·Òë³éÌë31¡¿³É³¤ÖпÉÄÜûÈ˸æËßÄãµÄ20¼þÊÂ
ÒѾÓÐ29È˻ظ´
ÈÃÄãÔڰ칫ÊÒÈËÆøìÉýµÄµØµÀ¿ÚÓת×Ô ÆÕÌØÓ¢Ó
ÒѾÓÐ1È˻ظ´
ÎҺ܇å~ ֮ǧÍò±ðѧÎÒ(6), µ± conference organizer µÄÐÄ·Àú³Ì~ (¸ß¼¶Ñ§Õ߱ؿ´ÐĵÃ)
ÒѾÓÐ18È˻ظ´
¡¾ÕûÀí¡¿¡¶ÌáÎʵÄÖǻۡ·¡ª¡ªÏ׸øÄÇЩ²»»áÌáÎʵÄÈË
ÒѾÓÐ78È˻ظ´
¡¾ÌÖÂÛ¡¿´óѧÉúÓ¦¸ÃÍѿڶø³öµÄ Ó¢Óï
ÒѾÓÐ2È˻ظ´
ÎҵĵÚһƪEnvironmental Science & TechnologyͶ¸å¾Àú
ÒѾÓÐ213È˻ظ´
|
2Â¥2013-06-19 17:40:38
gump_813
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 36 (СѧÉú)
- ½ð±Ò: 944.6
- ºì»¨: 4
- Ìû×Ó: 112
- ÔÚÏß: 60.3Сʱ
- ³æºÅ: 472700
- ×¢²á: 2007-12-04
- רҵ: ½ðÊô²ÄÁϵĺϽðÏà¡¢Ïà±ä¼°
3Â¥2013-06-19 22:25:33
condensed
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 21 (СѧÉú)
- ½ð±Ò: 3223.5
- É¢½ð: 44
- ºì»¨: 3
- Ìû×Ó: 1002
- ÔÚÏß: 208.4Сʱ
- ³æºÅ: 292567
- ×¢²á: 2006-11-04
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
4Â¥2013-06-20 00:20:09
| ¶¥ |
5Â¥2013-06-20 02:16:18
»¨ÎÞ´Ì
ľ³æ (ÖøÃûдÊÖ)
¶þʦÐÖ
- Ó¦Öú: 24 (СѧÉú)
- ½ð±Ò: 4315.3
- É¢½ð: 6
- ºì»¨: 109
- Ìû×Ó: 1060
- ÔÚÏß: 604Сʱ
- ³æºÅ: 148310
- ×¢²á: 2005-12-28
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
6Â¥2013-06-20 08:43:05
|
7Â¥2013-06-20 08:43:34
Ëͺ컨һ¶ä
![]() ![]() |
8Â¥2013-06-20 08:43:59
dahuchang
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 2529
- Ìû×Ó: 115
- ÔÚÏß: 49.6Сʱ
- ³æºÅ: 1009081
- ×¢²á: 2010-04-30
- ÐÔ±ð: GG
- רҵ: ¹âѧ
9Â¥2014-04-17 09:17:55
NickyHCQ
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 12 (СѧÉú)
- ½ð±Ò: 2004
- É¢½ð: 55
- ºì»¨: 8
- Ìû×Ó: 642
- ÔÚÏß: 754Сʱ
- ³æºÅ: 4546266
- ×¢²á: 2016-03-27
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
10Â¥2016-10-06 15:14:15













»Ø¸´´ËÂ¥
